3-Pyridinecarbonitrile, 2-bromo-6-ethyl-5-methyl-
TL;DR: 3-Pyridinecarbonitrile, 2-bromo-6-ethyl-5-methyl- (CAS 113124-07-5) is a chemical compound with molecular formula C9H9BrN2 and molecular weight 223.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-6-ethyl-5-methylpyridine-3-carbonitrile
Also Known As: HHCCQRUNKANAQB-UHFFFAOYSA-, 2-Bromo-6-ethyl-5-methylnicotinonitrile, 2-Bromo-6-ethyl-5-methylnicotinonitrile #, 2-bromo-6-ethyl-5-methyl-3-pyridinecarbonitrile, 2-bromo-6-ethyl-5-methylpyridine-3-carbonitrile
| Molecular Formula | C9H9BrN2 |
|---|---|
| Molecular Weight | 223.99 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.9949 |
| Heavy Atoms | 12 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 113124-07-5 |
|---|---|
| SMILES | CCC1=NC(=C(C=C1C)C#N)Br |
| InChIKey | HHCCQRUNKANAQB-UHFFFAOYSA-N |
Product Overview
3-Pyridinecarbonitrile, 2-bromo-6-ethyl-5-methyl- (CAS 113124-07-5), with molecular formula C9H9BrN2 and molecular weight 223.99 g/mol. IUPAC: 2-bromo-6-ethyl-5-methylpyridine-3-carbonitrile.
Chemical Property Profile of 3-Pyridinecarbonitrile, 2-bromo-6-ethyl-5-methyl-
Property Insights of 3-Pyridinecarbonitrile, 2-bromo-6-ethyl-5-methyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarbonitrile, 2-bromo-6-ethyl-5-methyl-. With a topological polar surface area (TPSA) of 36.7 Ų, 3-Pyridinecarbonitrile, 2-bromo-6-ethyl-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarbonitrile, 2-bromo-6-ethyl-5-methyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Pyridinecarbonitrile, 2-bromo-6-ethyl-5-methyl-?
The CAS number of 3-Pyridinecarbonitrile, 2-bromo-6-ethyl-5-methyl- is 113124-07-5.
What is the molecular formula of 3-Pyridinecarbonitrile, 2-bromo-6-ethyl-5-methyl-?
The molecular formula of 3-Pyridinecarbonitrile, 2-bromo-6-ethyl-5-methyl- is C9H9BrN2.
What is the molecular weight of 3-Pyridinecarbonitrile, 2-bromo-6-ethyl-5-methyl-?
The molecular weight of 3-Pyridinecarbonitrile, 2-bromo-6-ethyl-5-methyl- is 223.99 g/mol.
Where can I buy 3-Pyridinecarbonitrile, 2-bromo-6-ethyl-5-methyl-?
You can request a quote for 3-Pyridinecarbonitrile, 2-bromo-6-ethyl-5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarbonitrile, 2-bromo-6-ethyl-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarbonitrile, 2-bromo-6-ethyl-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.